[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone

C18H22N6O2 — CID 167834711

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone
SMILESCC(C)n1cc(C2(O)CCCN(C(=O)c3cccc4nccn34)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-13(2)24-11-15(20-21-24)18(26)7-4-9-22(12-18)17(25)14-5-3-6-16-19-8-10-23(14)16/h3,5-6,8,10-11,13,26H,4,7,9,12H2,1-2H3
InChIKeyDNTAZKXDKVLVKN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.63
Rot. Bonds3

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone (PubChem CID 167834711) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone
PubChem CID167834711
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone
SMILESCC(C)n1cc(C2(O)CCCN(C(=O)c3cccc4nccn34)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-13(2)24-11-15(20-21-24)18(26)7-4-9-22(12-18)17(25)14-5-3-6-16-19-8-10-23(14)16/h3,5-6,8,10-11,13,26H,4,7,9,12H2,1-2H3
InChIKeyDNTAZKXDKVLVKN-UHFFFAOYSA-N
XLogP1.63
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 128981869
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 129483484
1-(imidazo[1,2-a]pyridin-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756773
[4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
CID 129483992
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128980568
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 129484052
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129484034
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 128980494
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129482480
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128981852
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
CID 129484291
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 128982533

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone (CID 167834711) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone is CC(C)n1cc(C2(O)CCCN(C(=O)c3cccc4nccn34)C2)nn1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone?
The InChIKey is DNTAZKXDKVLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13(2)24-11-15(20-21-24)18(26)7-4-9-22(12-18)17(25)14-5-3-6-16-19-8-10-23(14)16/h3,5-6,8,10-11,13,26H,4,7,9,12H2,1-2H3.
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone has a molecular weight of 354.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone is sourced from PubChem (CID 167834711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).